1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol

C14H20FNO — CID 117347394

IUPAC1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol
SMILESCC(O)Cc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-11(17)9-12-5-6-14(13(15)10-12)16-7-3-2-4-8-16/h5-6,10-11,17H,2-4,7-9H2,1H3
InChIKeyVEAVRHPVASOSGF-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol

1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol (PubChem CID 117347394) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol
PubChem CID117347394
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol
SMILESCC(O)Cc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-11(17)9-12-5-6-14(13(15)10-12)16-7-3-2-4-8-16/h5-6,10-11,17H,2-4,7-9H2,1H3
InChIKeyVEAVRHPVASOSGF-UHFFFAOYSA-N
XLogP2.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol?
The IUPAC name of 1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol (CID 117347394) is 1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol is CC(O)Cc1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol?
The InChIKey is VEAVRHPVASOSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(17)9-12-5-6-14(13(15)10-12)16-7-3-2-4-8-16/h5-6,10-11,17H,2-4,7-9H2,1H3.
What are the key properties of 1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol?
1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol has a molecular weight of 237.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol is sourced from PubChem (CID 117347394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).